SCHEMBL7763773

SCHEMBL7763773

CCCCC(CC(=O)NO)C(=O)NC(C(=O)Nc1ccc(C(=O)OC)cc1)C(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 15/20 0.62
MMP2 P08253 13/20 0.62
MMP1 P03956 10/20 0.59
MMP7 P09237 4/20 0.59
MMP9 P14780 3/20 0.59
PDF Q9HBH1 1/20 0.56
MMP14 P50281 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7761449 0.87 MMP2 (0.83) MMP3MMP2MMP1MMP9MMP14
SCHEMBL7758470 0.86 MMP2 (0.75) MMP3MMP2MMP1MMP9MMP14
SCHEMBL7762285 0.78 MMP2 (0.82) MMP3MMP2
SCHEMBL7763178 0.76 MMP2 (0.74) MMP3MMP2
SCHEMBL4816160 0.76 MMP2 (0.70) MMP3MMP2MMP1MMP7MMP9
SCHEMBL7758581 0.75 MMP3 (0.61) MMP3MMP2MMP1MMP7MMP9
SCHEMBL14545737 0.75 MMP3 (1.00) MMP3MMP2MMP1MMP7MMP9
SCHEMBL8398532 0.75 MMP3 (1.00) MMP3MMP2MMP1MMP7MMP9
SCHEMBL4818599 0.73 MMP3 (0.82) MMP3MMP2MMP1MMP7MMP9
SCHEMBL7762136 0.73 MMP1 (1.00) MMP3MMP2MMP1MMP7MMP9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP claimed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO claimed
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP disclosed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO disclosed